5UM2

Functional and structural characterization of a Sulfate-binding protein (Sbp) from Xanthomonas citri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9794
Spacegroup name	C 1 2 1
Unit cell lengths	183.060, 54.540, 34.200
Unit cell angles	90.00, 98.90, 90.00

Refinement procedure

Resolution	30.158 - 1.140
R-factor	0.1217
Rwork	0.121
R-free	0.13890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sbp
RMSD bond length	0.009
RMSD bond angle	1.037
Data reduction software	XDS (3.3)
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.160
High resolution limit [Å]	1.140
Rmerge	0.039
Rpim	0.025
Number of reflections	207316
<I/σ(I)>	15.2
Completeness [%]	93.0
Redundancy	1.9
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.2	0.2 M Potassium Sulfate, 20% (w/v) PEG3350